2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)ethanoate

Systemtic Name: 2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)ethanoate Openeye Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)acetate CAS Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)acetate IUPAC Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)acetate Traditional Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)acetate Formula: C13H16BrO4- MolecularWeight: 316.16774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)CC(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)CC(=O)[O-])OC

InChI

InChI=1S/C13H17BrO4/c1-3-4-5-18-13-10(14)6-9(8-12(15)16)7-11(13)17-2/h6-7H,3-5,8H2,1-2H3,(H,15,16)/p-1